3-[2-[[methyl(2-phenylethyl)amino]methyl]phenyl]prop-2-yn-1-amine

C19H22N2 — CID 65488226

IUPAC3-[2-[[methyl(2-phenylethyl)amino]methyl]phenyl]prop-2-yn-1-amine
SMILESCN(CCc1ccccc1)Cc1ccccc1C#CCN
InChIInChI=1S/C19H22N2/c1-21(15-13-17-8-3-2-4-9-17)16-19-11-6-5-10-18(19)12-7-14-20/h2-6,8-11H,13-16,20H2,1H3
InChIKeyVMCDMTDEOSNEOK-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.67
Rot. Bonds5

About 3-[2-[[methyl(2-phenylethyl)amino]methyl]phenyl]prop-2-yn-1-amine

3-[2-[[methyl(2-phenylethyl)amino]methyl]phenyl]prop-2-yn-1-amine (PubChem CID 65488226) has the molecular formula C19H22N2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 3-[2-[[methyl(2-phenylethyl)amino]methyl]phenyl]prop-2-yn-1-amine.

Molecular Properties

Compound Name3-[2-[[methyl(2-phenylethyl)amino]methyl]phenyl]prop-2-yn-1-amine
PubChem CID65488226
Molecular FormulaC19H22N2
Molecular Weight278.40 g/mol
Exact Mass278.18
IUPAC Name3-[2-[[methyl(2-phenylethyl)amino]methyl]phenyl]prop-2-yn-1-amine
SMILESCN(CCc1ccccc1)Cc1ccccc1C#CCN
InChIInChI=1S/C19H22N2/c1-21(15-13-17-8-3-2-4-9-17)16-19-11-6-5-10-18(19)12-7-14-20/h2-6,8-11H,13-16,20H2,1H3
InChIKeyVMCDMTDEOSNEOK-UHFFFAOYSA-N
XLogP2.67
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]-N-methylpentan-1-amine
CID 54969470
3-[2-[[2-methoxyethyl(methyl)amino]methyl]phenyl]prop-2-yn-1-amine
CID 54969808
N-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]-3-methoxy-N-methylpropan-1-amine
CID 63009322
N-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]-N,2-dimethylpropan-1-amine
CID 54969275
N-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]-N-methylethanesulfonamide
CID 54966428
2-[[methyl(2-phenylethyl)amino]methyl]aniline
CID 23507547
N-[[3-(aminomethyl)-2-fluorophenyl]methyl]-N-methyl-2-phenylethanamine
CID 107113490
3-[[2-(3-aminoprop-1-ynyl)phenyl]methyl-methylamino]-N,2-dimethylpropanamide
CID 106917845
3-[2-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenyl]prop-2-yn-1-amine
CID 55012118
2-[[methyl(2-phenylethyl)amino]methyl]benzoic acid
CID 65486668
[2-[[methyl(2-phenylethyl)amino]methyl]phenyl]boronic acid
CID 65488036
N-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]-N,5-dimethylfuran-3-carboxamide
CID 114822209

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[methyl(2-phenylethyl)amino]methyl]phenyl]prop-2-yn-1-amine?
The IUPAC name of 3-[2-[[methyl(2-phenylethyl)amino]methyl]phenyl]prop-2-yn-1-amine (CID 65488226) is 3-[2-[[methyl(2-phenylethyl)amino]methyl]phenyl]prop-2-yn-1-amine.
What is the SMILES notation for 3-[2-[[methyl(2-phenylethyl)amino]methyl]phenyl]prop-2-yn-1-amine?
The canonical SMILES for 3-[2-[[methyl(2-phenylethyl)amino]methyl]phenyl]prop-2-yn-1-amine is CN(CCc1ccccc1)Cc1ccccc1C#CCN.
What is the InChIKey of 3-[2-[[methyl(2-phenylethyl)amino]methyl]phenyl]prop-2-yn-1-amine?
The InChIKey is VMCDMTDEOSNEOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2/c1-21(15-13-17-8-3-2-4-9-17)16-19-11-6-5-10-18(19)12-7-14-20/h2-6,8-11H,13-16,20H2,1H3.
What are the key properties of 3-[2-[[methyl(2-phenylethyl)amino]methyl]phenyl]prop-2-yn-1-amine?
3-[2-[[methyl(2-phenylethyl)amino]methyl]phenyl]prop-2-yn-1-amine has a molecular weight of 278.40 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[methyl(2-phenylethyl)amino]methyl]phenyl]prop-2-yn-1-amine is sourced from PubChem (CID 65488226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).